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Multi-calculation results: an energy table and reaction/voltage profile across a project #175

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Description

@ohlincha

Part of the battery-research feature set. Also serves the reaction energy profile item on the post-analysis list.

What exists

  • A reusable XY plot widget, ewxPlotCtrl, used by many panels.
  • Every property panel is single-calc (PropertyPanel::getCalculation()).
  • The Organizer's project table shows metadata only (ProjectContextPanel.C:202-262).
  • Nothing gathers energies from several calcs.

Wanted

  • Energy columns in the Organizer project table: TE, ZPE, H, G, and solvation energy where present.
  • A "results" view over a selection or a series: a table of ΔE/ΔH/ΔG relative to a chosen reference, with unit choice (Ha, kcal/mol, kJ/mol, eV).
  • A publication-style reaction profile plot, with SVG/PNG and CSV export.
  • A wx-free engine (gather properties, align by formula, convert units) with a headless test; the panel only draws.

Estimate

3–5 days.

Activity

  1. added
    backlogValuable, ticketed, not in scope until milestones A/C (and v9 easy items) are done
    on Sep 28, 2026
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    backlogValuable, ticketed, not in scope until milestones A/C (and v9 easy items) are doneenhancement

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